1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C15H19N3O — CID 115618954

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCC2CCOc3ccccc32)cn1
InChIInChI=1S/C15H19N3O/c1-18-11-12(9-17-18)8-16-10-13-6-7-19-15-5-3-2-4-14(13)15/h2-5,9,11,13,16H,6-8,10H2,1H3
InChIKeyIOZGVBWBGPYIFG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.08
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 115618954) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID115618954
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCC2CCOc3ccccc32)cn1
InChIInChI=1S/C15H19N3O/c1-18-11-12(9-17-18)8-16-10-13-6-7-19-15-5-3-2-4-14(13)15/h2-5,9,11,13,16H,6-8,10H2,1H3
InChIKeyIOZGVBWBGPYIFG-UHFFFAOYSA-N
XLogP2.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3,4-dihydro-2H-chromen-4-ylmethylamino)methyl]phenyl]methanol
CID 107230849
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 115618961
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65411728
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119156297
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54895787
1-(3,4-dihydro-2H-chromen-4-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106833897
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104768313
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethylcyclobutan-1-amine
CID 115907993

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 115618954) is 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is Cn1cc(CNCC2CCOc3ccccc32)cn1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is IOZGVBWBGPYIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-11-12(9-17-18)8-16-10-13-6-7-19-15-5-3-2-4-14(13)15/h2-5,9,11,13,16H,6-8,10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 257.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 115618954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).